SCHEMBL4774978

SCHEMBL4774978

CC(NC(=O)O)C(=O)Nc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.61
ATR Q13535 2/20 0.45
JAK2 O60674 3/20 0.44
JAK3 P52333 3/20 0.44
MTOR P42345 4/20 0.40
PIK3CA P42336 3/20 0.40
PIK3CG P48736 2/20 0.40
PIK3R1 P27986 1/20 0.40
PSEN1 P49768 4/20 0.40
PSEN2 P49810 4/20 0.40
APH1B Q8WW43 4/20 0.40
NCSTN Q92542 4/20 0.40
APH1A Q96BI3 4/20 0.40
PSENEN Q9NZ42 4/20 0.40
ADK P55263 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3765184 0.90 NOS1 (0.64) NOS1ATRJAK2JAK3MTOR
SCHEMBL3765421 0.90 NOS1 (0.63) NOS1ATRJAK2JAK3MTOR
SCHEMBL3765436 0.90 NOS1 (0.63) NOS1ATRJAK2JAK3MTOR
SCHEMBL3762311 0.89 NOS1 (0.56) NOS1ATRJAK2JAK3MTOR
SCHEMBL3762310 0.89 NOS1 (0.56) NOS1ATRJAK2JAK3MTOR
SCHEMBL3760595 0.84 NOS1 (0.61) NOS1ATRJAK2JAK3MTOR
SCHEMBL3760610 0.84 NOS1 (0.61) NOS1ATRJAK2JAK3MTOR
SCHEMBL3770209 0.84 NOS1 (0.71) NOS1ATRMTORPIK3CAPIK3CG
SCHEMBL3764319 0.83 NOS1 (0.64) NOS1ATRMTORPIK3CAPIK3CG
SCHEMBL4458075 0.83 NOS1 (0.64) NOS1ATRMTORPIK3CAPIK3CG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008009079-A2 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed